SCHEMBL3196799

SCHEMBL3196799

COC(=O)CCCCC[S+]([O-])c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
KAT2B Q92831 2/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
HPGD P15428 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
PTGS2 P35354 1/20 0.37
CNR1 P21554 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29131295 1.00 MAPT (0.45) MAPTKAT2BTSHRL3MBTL1HPGD
SCHEMBL3201821 0.96 MAPT (0.42) MAPTKAT2BTSHRL3MBTL1HPGD
SCHEMBL28632633 0.88 MAPT (0.42) MAPTTSHRL3MBTL1ALDH1A1LMNA
SCHEMBL3204325 0.86 HDAC1 (0.52) MAPTALDH1A1CYP11B1CYP11B2
SCHEMBL3195586 0.86 CYP4F2 (0.41) MAPTTSHRL3MBTL1ALDH1A1LMNA
SCHEMBL20545052 0.86 CA12 (0.40) MAPTTSHRHPGDALDH1A1LMNA
SCHEMBL20545009 0.85 LMNA (0.47) MAPTTSHRHPGDALDH1A1LMNA
SCHEMBL3186992 0.83 HDAC1 (0.42) MAPTTSHRHPGDALDH1A1LMNA
SCHEMBL29131286 0.82 ALDH1A1 (0.44) MAPTTSHRALDH1A1LMNA
SCHEMBL3195085 0.81 HDAC1 (0.55) CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683185-B2 Histone deacetylase inhibitors QUEEN MARY & WESTFIELD COLLEGE (GB) 2010-03-23 US claimed
US-20060235231-A1 6-(4-Dimethylamino-phenylsulfanyl)-hexa-2,4-dienoic acid methyl ester; stimulating hematopoietic cells ex vivo UCL BIOMEDICA PLC (GB) 2006-10-19 US claimed
EP-1565432-A1 HISTONE DEACETYLASE INHIBITORS QUEEN MARY & WESTFIELD COLLEGE (GB) 2005-08-24 EP claimed
WO-2004046094-A9 HISTONE DEACETYLASE INHIBITORS QUEEN MARY & WESTFIELD COLLEGE (GB) 2005-06-23 WO claimed
WO-2004046094-A1 HISTONE DEACETYLASE INHIBITORS QUEEN MARY & WESTFIELD COLLEGE (GB) 2004-06-03 WO claimed
US-7683185-B2 Histone deacetylase inhibitors QUEEN MARY & WESTFIELD COLLEGE (GB) 2010-03-23 US disclosed
US-20060235231-A1 6-(4-Dimethylamino-phenylsulfanyl)-hexa-2,4-dienoic acid methyl ester; stimulating hematopoietic cells ex vivo UCL BIOMEDICA PLC (GB) 2006-10-19 US disclosed
EP-1565432-A1 HISTONE DEACETYLASE INHIBITORS QUEEN MARY & WESTFIELD COLLEGE (GB) 2005-08-24 EP disclosed
WO-2004046094-A9 HISTONE DEACETYLASE INHIBITORS QUEEN MARY & WESTFIELD COLLEGE (GB) 2005-06-23 WO disclosed
WO-2004046094-A1 HISTONE DEACETYLASE INHIBITORS QUEEN MARY & WESTFIELD COLLEGE (GB) 2004-06-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060235231-A1 6-(4-Dimethylamino-phenylsulfanyl)-hexa-2,4-dienoic acid methyl ester; stimulating hematopoietic cells ex vivo HDAC1, HDAC7, HDAC5 MAPT 4790/4885KAT2B 24/4885TSHR 2721/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.